Sugi Predict

Sugi Predict / Compounds / SCHEMBL3211873

SCHEMBL3211873

SCHEMBL3211873

C#C[C@@H](N)Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.54
▸ TAAR1 Q96RJ0 4/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ AGXT P21549 2/20 0.46
▸ MIF P14174 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ DPP4 P27487 3/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ MAOB P27338 4/20 0.39
▸ PPARG P37231 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3211882 1.00 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTMIF
Hydrochloric Acid SCHEMBL3064814 0.98 SLC1A1 (0.53) SLC1A1TAAR1IDO1AGXTMIF
SCHEMBL5972960 0.82 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTMIF
SCHEMBL5972954 0.82 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTMIF
SCHEMBL28945247 0.82 SLC1A1 (0.50) SLC1A1TAAR1IDO1AGXTMIF
SCHEMBL1530031 0.77 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL2561950 0.77 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL9045670 0.77 MAOB (0.46) TAAR1IDO1AGXTMIFDPP4
SCHEMBL14478266 0.77 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL29410132 0.77 PNMT (0.60) SLC1A1TAAR1IDO1AGXT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 — — EP disclosed
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 — — US disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 — — US disclosed
EP-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 — — EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses GRIN1, GRIN3B, GABRE SLC1A1 37/4885TAAR1 170/4885IDO1 2801/4885
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN3A, OPRK1, CHRNA3 SLC1A1 180/4885TAAR1 73/4885IDO1 2672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.